3-Bromopyrazole - CAS 14521-80-3
Catalog: |
BB009903 |
Product Name: |
3-Bromopyrazole |
CAS: |
14521-80-3 |
Synonyms: |
5-bromo-1H-pyrazole |
IUPAC Name: | 5-bromo-1H-pyrazole |
Description: | 3-Bromopyrazole (CAS# 14521-80-3) is a useful synthetic intermediate in the synthesis of Rynaxypyr (C325380); an insecticidal anthranilic diamide that acts as a potent and selective ryanodine receptor activator. |
Molecular Weight: | 146.97 |
Molecular Formula: | C3H3BrN2 |
Canonical SMILES: | C1=C(NN=C1)Br |
InChI: | InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) |
InChI Key: | XHZWFUVEKDDQPF-UHFFFAOYSA-N |
Boiling Point: | 264.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.904 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01646049 |
LogP: | 1.17220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
15789547 | 20050101 | A facile and improved synthesis of sildenafil (Viagra) analogs through solid support microwave irradiation possessing tyrosinase inhibitory potential, their conformational analysis and molecular dynamics simulation studies | Molecular diversity |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.94796 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.94796 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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